3-[3-[3-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-5-methyl-1,2-oxazole hydrochloride

Systemtic Name: 3-[3-[3-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-5-methyl-1,2-oxazole hydrochloride Openeye Name: 3-[3-[3-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-5-methyl-isoxazole hydrochloride CAS Name: 3-[3-[3-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-5-methylisoxazole hydrochloride IUPAC Name: 3-[3-[3-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-5-methyl-1,2-oxazole hydrochloride Traditional Name: 3-[3-[3-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propyl]-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-5-methyl-isoxazole hydrochloride Formula: C26H29Cl2N5OS MolecularWeight: 530.51236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C2=CC3=C(CCN(CC3)CCCSC4=NN=C(N4C)C5=CC=CC=C5Cl)C=C2.Cl

Isomeric SMILES

CC1=CC(=NO1)C2=CC3=C(CCN(CC3)CCCSC4=NN=C(N4C)C5=CC=CC=C5Cl)C=C2.Cl

InChI

InChI=1S/C26H28ClN5OS.ClH/c1-18-16-24(30-33-18)21-9-8-19-10-13-32(14-11-20(19)17-21)12-5-15-34-26-29-28-25(31(26)2)22-6-3-4-7-23(22)27;/h3-4,6-9,16-17H,5,10-15H2,1-2H3;1H